IFLAB-ZINC04248477 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4000 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -0.6690 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 0.0110 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6640 -0.4020 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4340 0.7080 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 1.7790 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 1.3810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 2.0900 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 0.7330 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4280 1.5740 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8920 1.5980 -1.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7010 2.1090 -2.5920 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0850 2.0490 -2.2780 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1220 1.4180 -3.6910 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3160 3.8140 -2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1050 4.7840 -2.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8040 6.1210 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7110 6.4890 -3.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9210 5.5160 -3.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2270 4.1800 -3.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4160 7.7960 -3.3450 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9300 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 -0.5540 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -1.7490 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 -1.4240 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 3.1700 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 1.1690 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 -0.2840 -0.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 1.1390 -2.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 2.5920 -1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 1.3160 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9570 4.4970 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4210 6.8790 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0680 5.8020 -4.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6130 3.4210 -4.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 9 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 M END